# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0TJ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br0 Br -4.76000 -2.21800 0.67900 1.000 C1 C -3.27000 -1.19200 0.12900 1.000 C2 C -3.30200 0.18200 0.23100 1.000 Br3 Br -4.84000 1.03700 0.92200 1.000 C4 C -2.21100 0.94300 -0.17000 1.000 Br5 Br -2.27500 2.82700 -0.02100 1.000 C6 C -1.08100 0.33400 -0.67600 1.000 Br7 Br 0.39800 1.38000 -1.21900 1.000 C8 C -1.03300 -1.05000 -0.78600 1.000 C9 C -2.13000 -1.82500 -0.37700 1.000 N10 N -1.80200 -3.12400 -0.59700 1.000 C11 C -0.60500 -3.19300 -1.10200 1.000 N12 N -0.08200 -1.94500 -1.23600 1.000 C13 C 1.24300 -1.61100 -1.76600 1.000 C14 C 2.21800 -1.46400 -0.62600 1.000 O15 O 1.84400 -1.62200 0.51600 1.000 N16 N 3.50600 -1.15600 -0.87700 1.000 H17 H -0.10000 -4.10900 -1.37200 1.000 H18 H 1.57900 -2.40600 -2.43100 1.000 H19 H 1.18700 -0.67400 -2.31900 1.000 H20 H 3.80500 -1.02900 -1.79100 1.000 C21 C 4.45400 -1.01300 0.23100 1.000 C22 C 5.83700 -0.66500 -0.32300 1.000 C23 C 6.82700 -0.51500 0.83400 1.000 C24 C 8.21000 -0.16700 0.28000 1.000 C25 C 9.20000 -0.01700 1.43700 1.000 H26 H 4.11800 -0.21800 0.89600 1.000 H27 H 4.51000 -1.95100 0.78400 1.000 H28 H 6.17300 -1.46000 -0.98900 1.000 H29 H 5.78100 0.27300 -0.87700 1.000 H30 H 6.49100 0.28000 1.49900 1.000 H31 H 6.88300 -1.45300 1.38700 1.000 H32 H 8.54600 -0.96200 -0.38600 1.000 H33 H 8.15300 0.77100 -0.27300 1.000 H34 H 8.86400 0.77800 2.10200 1.000 H35 H 9.25600 -0.95500 1.99000 1.000 C36 C 10.56200 0.32600 0.89100 1.000 O37 O 10.72400 0.44000 -0.30100 1.000 O38 O 11.59500 0.50600 1.73000 1.000 H39 H 12.44900 0.72500 1.33300 1.000